Jan 5, 2022 · Inverse design refers to designing a new material with user-specified properties, while general inverse design, in addition, ...
A generalized invertible representation that encodes the crystallographic information into the descriptors in both real space and reciprocal space is ...
Nov 2, 2023 · An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties. Matter 5, 314–335 ...
The synthesis methods, crystal structures, and properties of anhydrous monazite and xenotime (REPO4) crystalline materials are summarized within this review.
Mar 2, 2022 · We introduce a general inverse design framework, called Fourier-transformed crystal properties (FTCP), which maps real- and reciprocal-space ...
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This document presents a method for inverse design of crystals using a generalized invertible crystallographic representation within a variational autoencoder ...
[21][22][23][24][25] In a recent work, Ren et al. 26 proposed an invertible crystallographic representation for general inverse design of inorganic crystals ...
An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning · Materials Science, Computer Science.
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An Invertible Crystallographic Representation for General Inverse ...
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Jun 8, 2021 · Herein, we present a generalized framework for inverse design of crystals with user-defined properties, which include both ground-state and ...
Dec 20, 2021 · Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a ...